[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate

C16H20ClNO3 — CID 3230484

IUPAC[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H20ClNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyAOQHRMZDFKZVSL-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.39
Rot. Bonds4

About [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate

[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate (PubChem CID 3230484) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
PubChem CID3230484
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H20ClNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyAOQHRMZDFKZVSL-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
The IUPAC name of [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate (CID 3230484) is [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
The canonical SMILES for [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
The InChIKey is AOQHRMZDFKZVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate?
[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate has a molecular weight of 309.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 3230484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).